2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

C11H19N5 — CID 107042350

IUPAC2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCn1nnc(CNCCC2=CCCCC2)n1
InChIInChI=1S/C11H19N5/c1-16-14-11(13-15-16)9-12-8-7-10-5-3-2-4-6-10/h5,12H,2-4,6-9H2,1H3
InChIKeyWMNMPCASGCHKPS-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.19
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (PubChem CID 107042350) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
PubChem CID107042350
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCn1nnc(CNCCC2=CCCCC2)n1
InChIInChI=1S/C11H19N5/c1-16-14-11(13-15-16)9-12-8-7-10-5-3-2-4-6-10/h5,12H,2-4,6-9H2,1H3
InChIKeyWMNMPCASGCHKPS-UHFFFAOYSA-N
XLogP1.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 103276703
2-(cyclopenten-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 106173854
1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042327
N-[(2-methyltetrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 107042495
1-(Cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050930
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050933
1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107050934
(Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058738
(Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine
CID 107058742
(Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058756
4-[(2-Methyltetrazol-5-yl)methylidene]piperidine
CID 107058868
(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine
CID 107058872

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (CID 107042350) is 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is Cn1nnc(CNCCC2=CCCCC2)n1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is WMNMPCASGCHKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-16-14-11(13-15-16)9-12-8-7-10-5-3-2-4-6-10/h5,12H,2-4,6-9H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 221.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 107042350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).